Crystallography Open Database

Information card for entry 4022206

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Coordinates	4022206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2
Title of publication	Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions
Authors of publication	Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	4684 - 4695
a	11.341 ± 0.003 Å
b	15.198 ± 0.002 Å
c	14.531 ± 0.004 Å
α	90°
β	99.82 ± 0.02°
γ	90°
Cell volume	2467 ± 1 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.053
Goodness-of-fit parameter for significantly intense reflections	1.63
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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